(1s 2 2s 2 2p 1 5p 1 ) 1 P O 2+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 1151.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 5p- electron | |
| 1 | 2p | 2.229624 | .16611021 |
| 2 | 3p | .926916 | -1.42390092 |
| 3 | 4p | .656515 | 5.30248587 |
| 4 | 5p | .657474 | -3.77608793 |
| 5 | 2p | 5.316023 | .02185501 |
| 6 | 5p | 1.057659 | .22360499 |
| 7 | 5p | .685131 | -1.18501709 |
| 8 | 4p | 6.079837 | .00977259 |
| ORB.ENERGY,a.u. | -.211940 | ||
| NORM | .999998 | < R > | 10.337925 | < R2 > | 120.063398 | < 1/R > | .137110 | < 1/R**2 > | .067820 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.616576 | .85477330 |
| 2 | 2p | 4.222982 | .15630838 |
| 3 | 2p | 9.553879 | .00699811 |
| 4 | 3p | 4.633493 | -.01356732 |
| 5 | 4p | 2.541825 | .02535253 |
| 6 | 4p | 13.016474 | -.00075145 |
| ORB.ENERGY,a.u. | -2.699100 | ||
| NORM | 1.000000 | < R > | .908613 | < R2 > | 1.010595 | < 1/R > | 1.411276 | < 1/R**2 > | 2.746885 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.286915 | .28802173 |
| 2 | 2s | 2.419251 | -.76625138 |
| 3 | 3s | 4.073165 | -.28662137 |
| 4 | 4s | 13.285945 | .00113754 |
| 5 | 5s | 8.273387 | -.02014043 |
| 6 | 5s | 2.808679 | .03105830 |
| 7 | 4s | 16.575458 | .00091304 |
| ORB.ENERGY,a.u. | -3.121400 | ||
| NORM | 1.000000 | < R > | .983537 | < R2 > | 1.139682 | < 1/R > | 1.460540 | < 1/R**2 > | 8.637097 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 7.354990 | .73308291 |
| 2 | 1s | 10.722854 | .19848637 |
| 3 | 1s | 3.631187 | .00403269 |
| 4 | 2s | 7.716467 | .09858833 |
| 5 | 3s | 8.688136 | -.02314515 |
| 6 | 4s | 14.561481 | .00530071 |
| 7 | 5s | 28.461349 | .00014546 |
| ORB.ENERGY,a.u. | -23.032000 |
| NORM | 1.000000 | < R > | .197803 | < R2 > | .052611 | < 1/R > | 7.660116 | < 1/R**2 > | 118.799795 |
Total Energy= -71.30215443 a.u.
Kinetic Energy= 71.30663426 a.u.
Potential Energy= -142.60878869 a.u.
Virial Ratio = -1.99993718